N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C26H19FN8O2 — CID 137056604

IUPACN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CCC1
InChIInChI=1S/C26H19FN8O2/c27-20-18(15-8-16(10-28-9-15)31-26(36)13-2-1-3-13)11-30-23-19(20)22(34-35-23)25-32-21-17(14-5-7-37-12-14)4-6-29-24(21)33-25/h4-13H,1-3H2,(H,31,36)(H,29,32,33)(H,30,34,35)
InChIKeyZHUYOFXNNZIGHF-UHFFFAOYSA-N
MW494.49 g/mol
LogP5.10
Rot. Bonds5

About N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137056604) has the molecular formula C26H19FN8O2 and a molecular weight of 494.49 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID137056604
Molecular FormulaC26H19FN8O2
Molecular Weight494.49 g/mol
Exact Mass494.16
IUPAC NameN-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CCC1
InChIInChI=1S/C26H19FN8O2/c27-20-18(15-8-16(10-28-9-15)31-26(36)13-2-1-3-13)11-30-23-19(20)22(34-35-23)25-32-21-17(14-5-7-37-12-14)4-6-29-24(21)33-25/h4-13H,1-3H2,(H,31,36)(H,29,32,33)(H,30,34,35)
InChIKeyZHUYOFXNNZIGHF-UHFFFAOYSA-N
XLogP5.10
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137056604) is N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1)C1CCC1.
What is the InChIKey of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is ZHUYOFXNNZIGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8O2/c27-20-18(15-8-16(10-28-9-15)31-26(36)13-2-1-3-13)11-30-23-19(20)22(34-35-23)25-32-21-17(14-5-7-37-12-14)4-6-29-24(21)33-25/h4-13H,1-3H2,(H,31,36)(H,29,32,33)(H,30,34,35).
What are the key properties of N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 494.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137056604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).